2-(4-azaniumylidene-4-azanyl-butyl)sulfanylpyrimidin-4-olate

Systemtic Name: 2-(4-azaniumylidene-4-azanyl-butyl)sulfanylpyrimidin-4-olate Openeye Name: 2-(4-amino-4-azaniumylidene-butyl)sulfanylpyrimidin-4-olate CAS Name: 2-[(4-amino-4-iminiobutyl)thio]-4-pyrimidinolate IUPAC Name: 2-(4-amino-4-azaniumylidenebutyl)sulfanylpyrimidin-4-olate Traditional Name: 2-[(4-amino-4-iminio-butyl)thio]pyrimidin-4-olate Formula: C8H12N4OS MolecularWeight: 212.27208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1[O-])SCCCC(=[NH2+])N

Isomeric SMILES

C1=CN=C(N=C1[O-])SCCCC(=[NH2+])N

InChI

InChI=1S/C8H12N4OS/c9-6(10)2-1-5-14-8-11-4-3-7(13)12-8/h3-4H,1-2,5H2,(H3,9,10)(H,11,12,13)